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CS-W001157 4
Total: USD 88.00

4,5-Difluoro-2-methoxybenzoic acid

  • CAS No. 425702-18-7

  • Cat. No. CS-0138868
  • Purity≥98%
  • MDL No.MFCD06660196

*For research and further manufacturing use only, not for direct human use.

4,5-Difluoro-2-methoxybenzoic acid|CS-0138868

Structure of 425702-18-7

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General Information

  • CAS No. 425702-18-7
  • Cat. No. CS-0138868
  • Purity ≥98%
  • MDL No. MFCD06660196
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₂O₃
  • Molecular Weight 188.13
  • Synonym(s) 4,5-Difluoro-2-methoxy-benzoic acid
  • SMILES O=C(O)C1=CC(F)=C(F)C=C1OC

Description

4,5-Difluoro-2-methoxybenzoic acid features a strategically positioned carboxylic acid group flanked by electron-withdrawing fluorine atoms and a methoxy substituent at the ortho position. This combination imparts enhanced solubility in organic solvents while maintaining stability under standard bench conditions. The molecule serves as a key building block for pharmaceutical intermediates and functional materials requiring precise electronic tuning and controlled reactivity.

Application

4,5-Difluoro-2-methoxybenzoic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation of fluorinated aromatic motifs into bioactive molecules. The carboxylic acid group facilitates amide and ester formation, while the ortho-methoxy and meta-difluoro substituents provide enhanced metabolic stability and modulated electronic properties. Bench-stable and compatible with standard coupling reactions, it supports efficient synthesis of kinase inhibitors and CNS-targeted compounds.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.6716
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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